1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine

C19H30N2 — CID 124731696

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
SMILESC1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H30N2/c1-3-16-9-14(1)11-18(16)13-20-5-7-21(8-6-20)19-12-15-2-4-17(19)10-15/h1,3,14-19H,2,4-13H2/t14-,15-,16-,17-,18+,19-/m0/s1
InChIKeyYSWDCCWQIZKOSC-VIUKOLAESA-N
MW286.46 g/mol
LogP3.00
Rot. Bonds3

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine (PubChem CID 124731696) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
PubChem CID124731696
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
SMILESC1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H30N2/c1-3-16-9-14(1)11-18(16)13-20-5-7-21(8-6-20)19-12-15-2-4-17(19)10-15/h1,3,14-19H,2,4-13H2/t14-,15-,16-,17-,18+,19-/m0/s1
InChIKeyYSWDCCWQIZKOSC-VIUKOLAESA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine with MolForge

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Related Compounds

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 98124188
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine
CID 159751711
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
CID 742638
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
CID 98125656
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylsulfanylphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxy-5-methylphenyl)piperazine
CID 157488175
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-ol
CID 18389193
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazine
CID 18389111
1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 7221368
1-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-methylpiperazine
CID 7344859
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
2-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]ethanol
CID 11871342
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 98124191

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine (CID 124731696) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine is C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine?
The InChIKey is YSWDCCWQIZKOSC-VIUKOLAESA-N. The full InChI is InChI=1S/C19H30N2/c1-3-16-9-14(1)11-18(16)13-20-5-7-21(8-6-20)19-12-15-2-4-17(19)10-15/h1,3,14-19H,2,4-13H2/t14-,15-,16-,17-,18+,19-/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine is sourced from PubChem (CID 124731696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).